Geometry & MOs

Info

ID:	70700
PubChem CID:	48413739
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-156.83
Dipole, Da:	5.46
IP(EA), eV:	-9.05(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

DOS

IR

Vibrations